⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL18661985 | 0.79 | — | — | |
| SCHEMBL19245831 | 0.78 | — | — | |
| SCHEMBL25911452 | 0.77 | — | — | |
| SCHEMBL16614453 | 0.76 | — | — | |
| SCHEMBL28397763 | 0.76 | — | — | |
| SCHEMBL18509704 | 0.76 | — | — | |
| SCHEMBL25113245 | 0.75 | MMP1 (0.33) | — | |
| SCHEMBL18970807 | 0.75 | — | — | |
| SCHEMBL23708116 | 0.75 | — | — | |
| SCHEMBL19017895 | 0.75 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10562916-B2 | Substituted quinoxalines as PDE-10 inhibitors | SUNOVION PHARMACEUTICALS, INC. (US) | 2020-02-18 | — | — | US | disclosed |
| US-20180037590-A1 | SUBSTITUTED QUINOLINES AS PDE-10 INHIBITORS | SUNOVION PHARMACEUTICALS INC. | 2018-02-08 | — | — | US | disclosed |